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sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 2,052

Website

Analyzing CCSD(T) and CCSDT wavefunctions of ORCA has been supported!

The Multiwfn updated on 2025-Aug-3 supported this new feature:

Now Multiwfn is able to analyze wavefunctions of very high levels such as CCSD(T), CCSDT, MP5, etc. based on json file of ORCA 6.1. See updated Section 4.A.8 of Multiwfn manual for example.